SCHEMBL2883582

SCHEMBL2883582

O=c1[nH]cccc1Oc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46
▸ CYP2D6 P10635 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ SCN8A Q9UQD0 6/20 0.44
▸ SCN10A Q9Y5Y9 6/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.38
▸ GAA P10253 4/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SERPINE1 P05121 1/20 0.38
▸ LIPE Q05469 1/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ DAO P14920 1/20 0.38
▸ BLM P54132 2/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ PIM2 Q9P1W9 1/20 0.37
▸ MEN1 O00255 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2881510 0.84 SCN8A (0.43) L3MBTL1SCN8ASCN10AKDM4EGAA
SCHEMBL27261099 0.83 KDM4E (0.44) CYP2D6L3MBTL1ABL1KDM4EGAA
SCHEMBL3061823 0.79 GAA (0.50) SLC6A2SLC6A4SLC6A3L3MBTL1KDM4E
SCHEMBL2882225 0.78 KMT2A (0.47) SLC6A2SLC6A4SLC6A3CYP2D6L3MBTL1
SCHEMBL2883959 0.77 KDM4E (0.45) SLC6A4L3MBTL1KDM4EGAAKMT2A
SCHEMBL12952672 0.70 SLC6A4 (0.48) SLC6A2SLC6A4SLC6A3L3MBTL1GAA
SCHEMBL15504912 0.70 ABL1 (0.62) SCN8ASCN10AABL1NPC1SERPINE1
SCHEMBL28780452 0.70 EPHX2 (0.50) SLC6A2SLC6A4SLC6A3L3MBTL1KDM4E
SCHEMBL12391777 0.69 CYP2D6 (0.46) CYP2D6SCN8ASCN10AABL1NPC1
SCHEMBL5547961 0.69 SLC6A4 (0.54) SLC6A2SLC6A4SLC6A3L3MBTL1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216758-A1 Pyridone Compounds MSD K.K. (JP) 2010-08-26 — — US disclosed
EP-1916239-A1 PYRIDONE COMPOUND BANYU PHARMACEUTICAL CO., LTD. (JP) 2008-04-30 — — EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100216758-A1 Pyridone Compounds NPY1R, MC5R, MC1R SLC6A2 2155/4885SLC6A4 1848/4885SLC6A3 1464/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback